Geometry & MOs

Info

ID:	146145
PubChem CID:	53643487
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	386.124899
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	2.06
IP(EA), eV:	-9.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenyl)-3-methylbutyl]-3-fluoro-5-(4-fluorophenoxy)benzene

Drug info:

PubChemData

Smile

CCCCCOCCOC(=O)C=C

DOS

IR

Vibrations